SCHEMBL6065037

SCHEMBL6065037

O=C(CCl)c1ccc(O)c(C(=O)O)c1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
PTGS2 P35354 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALOX5 P09917 1/20 0.50
KLKB1 P03952 1/20 0.50
CTSB P07858 1/20 0.50
MMP9 P14780 1/20 0.50
DNMT1 P26358 1/20 0.50
DNMT3B Q9UBC3 1/20 0.50
DNMT3L Q9UJW3 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
ALDH1A1 P00352 3/20 0.47
HIF1A Q16665 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1405708 0.98 CA1 (0.53) CA1CA2PTGS2CA12CA7
SCHEMBL6065043 0.96 CA1 (0.52) CA1CA2PTGS2CA12CA7
SCHEMBL6064903 0.96 CA1 (0.52) CA1CA2PTGS2CA12CA7
SCHEMBL28009854 0.82 GSK3B (0.46) ALDH1A1HIF1AMEN1KMT2AKDM4E
SCHEMBL6065040 0.81 ALDH1A1 (0.44) CA1CA2ALDH1A1HIF1AMEN1
SCHEMBL6064902 0.81 GSK3B (0.44) CA1CA2ALDH1A1HIF1AMEN1
SCHEMBL10541064 0.81 KDM4E (0.64) CA1CA2PTGS2CA12CA7
SCHEMBL1576999 0.80 CSNK2A1 (0.53) CA1CA2PTGS2CA12CA7
SCHEMBL11447833 0.80 CA1 (0.52) CA1CA2PTGS2CA12CA7
SCHEMBL3947199 0.80 PTPN1 (0.52) CA1CA2PTGS2CA12CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720408-A1 MIXTURES AND METHODS FOR THE INDUCTION OF RESISTANCE IN PLANTS ISAGRO S.p.A. (IT) 2006-11-15 EP disclosed
WO-2005094580-A1 MIXTURES AND METHODS FOR THE INDUCTION OF RESISTANCE IN PLANTS ISAGRO S.P.A. (IT) 2005-10-13 WO disclosed